methyl N-isobutyrylglycinate | 62086-65-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: methyl N-isobutyrylglycinate
• 英文别名: methyl 2-isobutyramidoacetate；Isobutyrylglycinmethylester；Isobutyrylglycine, methyl ester；methyl 2-(2-methylpropanoylamino)acetate
• CAS: 62086-65-1
• 化学式: C₇H₁₃NO₃
• 分子量: 159.185
• InChiKey: NZZLARRIBIFCBC-UHFFFAOYSA-N

物化性质

• 保留指数：
  1207

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methyl N-isobutyrylglycinate 在 phosphorus pentoxide 作用下， 以 氯仿 为溶剂， 反应 16.0h， 以77%的产率得到2-Isopropyl-5-methoxy-oxazole
  参考文献：
  名称：

  L'abbe, Gerrit; Ilisiu, Anna-Maria; Dehaen, Wim, Journal of the Chemical Society. Perkin transactions I, 1993, # 19, p. 2259 - 2262

  摘要：

  DOI：
• 作为产物：
  描述：

  异丁酰氯 、 甘胺酸甲酯 在 三乙胺 作用下， 以 乙酸乙酯 为溶剂， 生成 methyl N-isobutyrylglycinate
  参考文献：
  名称：

  Palladium-Catalyzed β-Acyloxylation of Simple Amide via sp³ C–H Activation

  摘要：

  beta-Acylcoxy amides are prepared in moderate to high yields by palladium-catalyzed acyloxylation of primary sp(3) C-H bonds from simple amides without any special directing group. A catalytic system of Pd(OAc)(2)/CF3CO2H/K2S2O8 is available to various amides with N-substituted by linear alkanes, cyclic alkanes, and electron-deficient benzyl compounds in this reaction. Acyloxylated products could be transformed easily to the corresponding beta-hydroxy amides.

  DOI：

  10.1021/ol403393w

文献信息

• SUBSTITUTED IMIDAZOLYLCARBOXAMIDES AS PESTICIDES
  申请人：BAYER CROPSCIENCE AKTIENGESELLSCHAFT

  公开号：US20190045783A1

  公开（公告）日：2019-02-14

  The present invention relates to compounds of the general formula (I) in which Q, V, T, W, X, Y and A have the meanings given in the description—and to their use for controlling animal pests.

  本发明涉及一般式（I）中Q、V、T、W、X、Y和A所表示的化合物，以及它们用于控制动物害虫的用途。
• [EN] INHIBITORS FOR SOLUBLE EPOXIDE HYDROLASE (SEH) AND FATTY ACID AMIDE HYDROLASE (FAAH)<br/>[FR] INHIBITEURS DE L'HYDROLASE D'ÉPOXYDE SOLUBLE (SEH) ET DE L'HYDROLASE D'AMIDE D'ACIDES GRAS (FAAH)
  申请人：UNIV CALIFORNIA

  公开号：WO2017160861A1

  公开（公告）日：2017-09-21

  The present invention provides compounds that are dual inhibitors of soluble epoxide hydrolase and fatty acid amide hydrolase. The present invention also provides methods of using the compounds to inhibit soluble epoxide hydrolase and fatty acid amide hydrolase, and to treat cancer.

  本发明提供了一种既能抑制可溶性环氧化物水解酶又能抑制脂肪酸酰胺水解酶的化合物。本发明还提供了使用这些化合物来抑制可溶性环氧化物水解酶和脂肪酸酰胺水解酶，并治疗癌症的方法。
• USE OF SUBSTITUTED 1-(ARYL ETHYNYL)-, 1-(HETEROARYL ETHYNYL)-, 1-(HETEROCYCLYL ETHYNYL)- AND 1-(CYCLOALKENYL ETHYNYL)-CYCLOHEXANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS
  申请人：BAYER CROPSCIENCE AG

  公开号：US20150305334A1

  公开（公告）日：2015-10-29

  The invention relates to the use of substituted 1-(arylethynyl)-, 1-(heteroarylethynyl)-, 1-(heterocyclylethynyl)- and 1-(cycloalkenylethynyl)cyclohexanols or salts thereof where the radicals in the general formula (I) correspond to the definitions given in the description, for enhancing stress tolerance in plants to abiotic stress and/or for increasing plant yield.

  本发明涉及使用取代的1-(芳基乙炔基)-、1-(杂芳基乙炔基)-、1-(杂环基乙炔基)-和1-(环烯基乙炔基)环己醇或其盐，其中通式(I)中的基团与描述中给定的定义相对应，用于增强植物对非生物胁迫的耐受性和/或增加植物产量。
• [EN] EZH2 INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS D'EZH2 ET LEURS UTILISATIONS
  申请人：DANA FARBER CANCER INST INC

  公开号：WO2017184999A1

  公开（公告）日：2017-10-26

  The present disclosure provides compounds of any one of Formulae (I), (II), and (III). The compounds described herein are inhibitors of histone methyltransferases (e.g., enhancer of zeste homolog 1 (EZHl) and enhancer of zeste homolog 2 (EZH2)) and are useful in treating and/or preventing a broad range of diseases (e.g., proliferative diseases). Also provided in the present disclosure are pharmaceutical compositions, kits, methods, and uses including or using a compound described herein.

  本公开提供了任一式(I)、(II)和(III)中的化合物。本文描述的这些化合物是组蛋白甲基转移酶（例如，增强子of zeste同源物1（EZHl）和增强子of zeste同源物2（EZH2））的抑制剂，并可用于治疗和/或预防广泛范围的疾病（例如，增殖性疾病）。本公开还提供了包括或使用本文描述的化合物的药物组合物、试剂盒、方法和用途。
• USE OF SUBSTITUTED 1-(ARYL ETHYNYL)-, 1-(HETEROARYL ETHYNYL)-, 1-(HETEROCYCLYL ETHYNYL)- AND 1-(CYCLOALKENYLETHYNYL)-BICYCLOALKANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS
  申请人：BAYER CROPSCIENCE AG

  公开号：US20150315146A1

  公开（公告）日：2015-11-05

  The invention relates to the use of substituted 1-(arylethynyl)-, 1-(heteroarylethynyl)-, 1-(heterocyclylethynyl)- and 1-(cycloalkenylethynyl)bicycloalkanols or salts thereof where the radicals in the general formula (I) correspond to the definitions given in the description, for enhancing stress tolerance in plants to abiotic stress and/or for increasing plant yield.

  该发明涉及使用取代的1-(芳基乙炔基)-、1-(杂芳基乙炔基)-、1-(杂环基乙炔基)-和1-(环烯基乙炔基)双环戊醇或其盐，其中一般式(I)中的基团对应于描述中给定的定义，用于增强植物对非生物胁迫的耐受性和/或增加植物产量。